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CAS 588720-42-7 indolizine-6-carboxylic acid molecular structure lightbox
CAS RN: 588720-42-7

indolizine-6-carboxylic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250224 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS588720-42-7
  • Purity/Analytical Methods: >99.0%
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588720-42-7 / indolizine-6-carboxylic acid

Standard CAS: 588720-42-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
588720-42-7
Multi CAS
No
Molecular Formula
C9H7NO2
Molecular Weight
161.160000
Exact Mass
161.047678
InChI
InChI=1S/C9H7NO2/c11-9(12)7-3-4-8-2-1-5-10(8)6-7/h1-6H,(H,11,12)
InChIKey
JOVCSPPLSDQUOO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.36
TPSA
41.71

LogP / Solubility

WLOGP
1.64
MLOGP
1.44
XLogP3
2
Consensus LogP
1.69
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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